Name: Name:benzoylaconine
Brand: AABLOCKS
SKU: AA00DB5F
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00DB5F

Chemical Name: benzoylaconine

CAS Number: 466-24-0

Molecular Formula: C32H45NO10

Molecular Weight: 603.7004

MDL Number: MFCD01704309

SMILES: COC[C@@]12CN(CC)C3C4([C@@H]2[C@@H](OC)C3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)O)[C@H](C[C@H]1O)OC

Properties

Complexity: 1100

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 14

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 43

Hydrogen Bond Acceptor Count: 11

Hydrogen Bond Donor Count: 4

Isotope Atom Count: 0

Rotatable Bond Count: 9

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: -0.3

Literature fold

Title: The role of efflux transporters on the transport of highly toxic aconitine, mesaconitine, hypaconitine, and their hydrolysates, as determined in cultured Caco-2 and transfected MDCKII cells.

Journal: Toxicology letters20130204

Title: Hemisynthesis and antiproliferative properties of mono-[O-(14-benzoylaconine-8-yl)]esters and bis-[O-(14-benzoylaconine-8-yl)]esters.

Journal: European journal of medicinal chemistry20120801

Title: Development and validation of a rapid capillary zone electrophoresis method for the determination of aconite alkaloids in aconite roots.

Journal: Phytochemical analysis : PCA20100101

Title: Simultaneous quantitation of aconitine, mesaconitine, hypaconitine, benzoylaconine, benzoylmesaconine and benzoylhypaconine in human plasma by liquid chromatography-tandem mass spectrometry and pharmacokinetics evaluation of 'SHEN-FU' injectable powder.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences20081001

Title: [Studies on hydrolysis of aconitine].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica20071001

Title: [Determination of alkaloids in Radix Aconiti Lateralis Preparata by RP-ion-pair HPLC].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica20060401

Title: Effects of long-term administrations of aconitine on electrocardiogram and tissue concentrations of aconitine and its metabolites in mice.

Journal: Forensic science international20050210

Title: A column-switching LC/MS/ESI method for detecting tetrodotoxin and Aconitum alkaloids in serum.

Journal: Legal medicine (Tokyo, Japan)20030301

Title: [Study on metabolites on aconitine in rabbit urine].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica20021001

Title: Liu XX, et al. Determination of alkaloids in Radix Aconiti Lateralis Preparata by RP-ion-pair HPLC. Yao Xue Xue Bao. 2006 Apr;41(4):365-9.

Title: Borcsa B, et al. Diterpene alkaloids from the roots of Aconitum moldavicum and assessment of Nav1.2 sodium channel activity of aconitum alkaloids. Planta Med. 2014 Feb;80(2-3):231-6.

466-24-0 | benzoylaconine